CID 5278911

(2r)-2-[[4-[4-(dibenzofuran-3-yloxymethyl)-1-piperidyl]phenoxy]methyl]-2-methyl-6-nitro-3h-imidazo[2,1-b]oxazole

Structural Information

Molecular Formula
C31H30N4O6
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)COC5=CC6=C(C=C5)C7=CC=CC=C7O6
InChI
InChI=1S/C31H30N4O6/c1-31(19-34-17-29(35(36)37)32-30(34)41-31)20-39-23-8-6-22(7-9-23)33-14-12-21(13-15-33)18-38-24-10-11-26-25-4-2-3-5-27(25)40-28(26)16-24/h2-11,16-17,21H,12-15,18-20H2,1H3/t31-/m1/s1
InChIKey
UAYITTAZZPWXJC-WJOKGBTCSA-N
Compound name
(2R)-2-[[4-[4-(dibenzofuran-3-yloxymethyl)piperidin-1-yl]phenoxy]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

554.21655 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.22383 224.1
[M+Na]+ 577.20577 228.2
[M-H]- 553.20927 237.7
[M+NH4]+ 572.25037 229.5
[M+K]+ 593.17971 221.6
[M+H-H2O]+ 537.21381 217.1
[M+HCOO]- 599.21475 238.2
[M+CH3COO]- 613.23040 243.2
[M+Na-2H]- 575.19122 224.9
[M]+ 554.21600 227.6
[M]- 554.21710 227.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.